Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.40 |
| ▸ | APP | P05067 | 1/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | HCAR3 | P49019 | 1/20 | 0.40 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 2/20 | 0.39 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.39 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
| ▸ | F7 | P08709 | 1/20 | 0.39 |
| ▸ | F3 | P13726 | 1/20 | 0.39 |
| ▸ | SARM1 | Q6SZW1 | 1/20 | 0.39 |
| ▸ | SIRT2 | Q8IXJ6 | 1/20 | 0.39 |
| ▸ | SIRT6 | Q8N6T7 | 1/20 | 0.39 |
| ▸ | SIRT1 | Q96EB6 | 1/20 | 0.39 |
| ▸ | SIRT3 | Q9NTG7 | 1/20 | 0.39 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL28198363 | 0.84 | ALDH1A1 (0.46) | ALDH1A1KMT2AAPPGAAHCAR3 | |
| SCHEMBL6210380 | 0.79 | ALDH1A1 (0.41) | ALDH1A1KMT2ACYP3A4CYP1A2GAA | |
| SCHEMBL27346246 | 0.77 | KMT2A (0.41) | ALDH1A1KMT2ACYP1A2MEN1LMNA | |
| SCHEMBL5355354 | 0.77 | ALDH1A1 (0.45) | ALDH1A1CYP3A4GAALMNATDP1 | |
| SCHEMBL6211802 | 0.76 | IDO1 (0.44) | ALDH1A1KMT2ACYP3A4CYP1A2GAA | |
| SCHEMBL27699462 | 0.76 | ALDH1A1 (0.44) | ALDH1A1CYP3A4CYP1A2APPGAA | |
| SCHEMBL8226111 | 0.75 | — | — | |
| SCHEMBL13041722 | 0.75 | — | — | |
| Methyl Alcohol SCHEMBL6766122 | 0.75 | ALDH1A1 (0.44) | ALDH1A1CYP3A4GAALMNATDP1 | |
| SCHEMBL27980658 | 0.74 | ALDH1A1 (0.44) | ALDH1A1CYP3A4CYP1A2APPGAA |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-101161248-B | Novel anti-hepatitis B virus medicine preparing method | UNIV LIAONING | 2011-05-04 | — | — | CN | disclosed |
| CN-101161248-A | Novel anti-hepatitis B virus medicine and its preparing method | UNIV LIAONING (CN) | 2008-04-16 | — | — | CN | disclosed |